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12-aminododecanoic Acid

fo-b21159e70215b0ae

Identity

Type
Neutral molecule
CAS
693-57-2
EC
211-754-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 12-aminododecanoic Acid

Alternative labels

10

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string PBLZLIFKVPJDCO-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15)
IUPAC name chemrof:IUPAC_name 12-aminododecanoic Acid
Molecular formula chemrof:molecular_formula C12H25NO2
Molecular mass chemrof:molecular_mass 215.337
Monoisotopic mass chemrof:monoisotopic_mass 215.188529, 215.18853
SMILES string chemrof:smiles_string NCCCCCCCCCCCC(=O)O

Known URLs

33

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
agr agr:IND43939339 enrich_references.chebi_xrefs
agr agr:IND86056176 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25768-33-6 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=693-57-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:42025 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.687 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90883480 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL371701 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/9042RP777G enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J23.186J enrich_references.pubchem_identifier_url
LIPID MAPS https://www.lipidmaps.org/databases/lmsd/LMFA01100005 enrich_references.chebi_xrefs
lipidmaps.org https://lipidmaps.org/databases/lmsd/LMFA01100005 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=1838 enrich_references.pubchem_identifier_url
patent patent:JP2006271378 enrich_references.chebi_xrefs
pdb-ccd pdb-ccd:DOA enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/69661 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/15261290 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16750613 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17256367 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17266343 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18685217 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19420719 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21289408 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21382714 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22593719 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22709433 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22917277 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25912724 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/26969251 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27107110 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/27541724 enrich_references.chebi_xrefs
reaxys reaxys:907502 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q27271277 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
38797e94-8fc8-4f58-8b14-a5a042138dce Environmental → Air → Aircraft cruise height EF 3.1 kg 4
fd23d70a-373d-4ff8-b0fd-a06c6bc0b709 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
838dce10-fe9c-4942-81f9-2aaa1a206838 Environmental → Air → Indoor EF 3.1 kg 4
9186e548-7f6c-4175-a428-a64e19b90eae Environmental → Air → Long-term EF 3.1 kg 0
26d378a8-12d8-4f2d-aea5-db024fbe0163 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
e4b16f3d-217b-4ffd-9666-add3acb10fa3 Environmental → Air → Unknown EF 3.1 kg 4
b1199396-c250-4471-a7b2-7087e0b574d4 Environmental → Ground → Agricultural EF 3.1 kg 4
335dd65b-f749-48b8-ac9b-3bd534eb92d1 Environmental → Ground → Non-agricultural EF 3.1 kg 4
1a9c2427-ae54-4735-b5d0-bf0671767d71 Environmental → Ground → Unknown EF 3.1 kg 4
e03194fa-8580-4493-92e5-ec1cf37a8e99 Environmental → Water → Long-term EF 3.1 kg 0
5623134a-8d95-4020-83b9-752263a7b5b2 Environmental → Water → Ocean EF 3.1 kg 4
5699088d-ed9e-46d9-a082-94caaac10db7 Environmental → Water → Surface water EF 3.1 kg 4
4e301cc8-05e5-40ec-bca5-627a8d278dcc Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
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